BDBM863 1OH-2(Cbz-Tle)3PhPr [14]paracyclophane deriv. 27::tert-butyl N-[(1S,2S)-1-[(16R,19R)-15,18-dioxo-16-(propan-2-yl)-2,5,8,11-tetraoxa-14,17,20-triazabicyclo[20.2.2]hexacosa-1(24),22,25-trien-19-yl]-1-hydroxy-3-phenylpropan-2-yl]carbamate

SMILES: CC(C)C1NC(=O)[C@H](NCc2ccc(OCCOCCOCCOCCNC1=O)cc2)C(O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C

InChI Key: InChIKey=HGRKOLDVMGOTDN-KMDJKLILSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 863   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
HIV-1 Protease (Human immunodeficiency virus type 1)	BDBM863 (1OH-2(Cbz-Tle)3PhPr [14]paracyclophane deriv. 27 |...) Show SMILES CC(C)C1NC(=O)[C@H](NCc2ccc(OCCOCCOCCOCCNC1=O)cc2)C(O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C |r| Show InChI InChI=1S/C36H54N4O9/c1-25(2)30-33(42)37-15-16-45-17-18-46-19-20-47-21-22-48-28-13-11-27(12-14-28)24-38-31(34(43)40-30)32(41)29(23-26-9-7-6-8-10-26)39-35(44)49-36(3,4)5/h6-14,25,29-32,38,41H,15-24H2,1-5H3,(H,37,42)(H,39,44)(H,40,43)/t29-,30?,31+,32?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	23.2	-10.8	n/a	n/a	n/a	n/a	n/a	6.25	37
Sandoz Research Institute					Assay Description Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ...				J Med Chem 39: 3291-9 (1996) Article DOI: 10.1021/jm950641i BindingDB Entry DOI: 10.7270/Q2P84935
					More data for this Ligand-Target Pair